
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -6.2456   -1.7895    1.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281   -0.0894   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -1.6983    1.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5164   -0.0597   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601   -1.6848    1.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841    1.3502   -1.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4478   -0.5412   -1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132    1.8111   -2.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224    0.0022   -1.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -0.8876    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362    0.1350   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1388   -0.8526    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8696   -0.1162   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818    1.1597   -2.5983 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857   -0.9200    0.5576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -0.4684   -0.1985 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4339    0.7811   -0.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4884   -0.6740    1.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9591   -2.1119    2.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -2.6126    0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2929   -1.4742    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    0.5447   -0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -2.3430    2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101    0.5941   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8020   -2.3072    2.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    1.9599   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -1.4845   -0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    2.7424   -2.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -0.5037   -2.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599   -1.4948    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336   -1.3453    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  3 23  1  0  0  0  0
  4  2  2  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  9  7  2  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12  5  2  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 15 30  1  0  0  0  0
 16 13  1  0  0  0  0
 16 31  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <ID>
Z321318226

>  <Barcode>
0110770266

>  <Well>
A06

>  <Plate_ID>
816280-08

>  <MW>
243.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	9
3	C	10
4	C	13
5	C	14
6	C	11
7	C	12
8	C	16
9	C	17
10	C	7
11	C	6
12	C	8
13	C	1
14	N	5
15	N	3
16	N	2
17	O	4
18	O	15
19	H	30
20	H	31
21	H	29
22	H	21
23	H	22
24	H	25
25	H	26
26	H	23
27	H	24
28	H	27
29	H	28
30	H	20
31	H	19


> <ALATIS_Mixture_Map>

$$$$
